SCHEMBL872522

SCHEMBL872522

CCCCc1cc(C(C)C(C)=O)cc(CCCC)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
TYR P14679 2/20 0.39
ALOX5 P09917 5/20 0.37
FFAR1 O14842 1/20 0.37
PTGS2 P35354 3/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4854736 0.90 EGFR (0.43) EGFRTYRALOX5FFAR1PTGS2
SCHEMBL11822461 0.85 ALOX5 (0.43) EGFRTYRALOX5PTGS2HCAR3
SCHEMBL13013439 0.85 EGFR (0.48) EGFRTYRALOX5FFAR1PTGS2
SCHEMBL1629294 0.84 EGFR (0.41) EGFRTYRALOX5FFAR1PTGS2
SCHEMBL13013000 0.83 FFAR1 (0.43) EGFRALOX5FFAR1PTGS2MEN1
SCHEMBL10272267 0.83 ALOX5 (0.41) EGFRTYRALOX5PTGS2MAOA
SCHEMBL328706 0.83 ALOX5 (0.41) EGFRTYRALOX5PTGS2MAOA
SCHEMBL872574 0.83 EGFR (0.40) EGFRTYRALOX5FFAR1PTGS2
SCHEMBL8444792 0.81 EGFR (0.39) EGFRTYRALOX5FFAR1PTGS2
SCHEMBL13180438 0.81 TDP1 (0.40) EGFRTYRALOX5FFAR1PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143324-B2 antioxidants with hindered phenol functionality perform better in curing of polybenzocyclobutene materials in air without undue degradation of key properties DOW GLOBAL TECHNOLOGIES LLC (US) 2012-03-27 US disclosed
US-20090275673-A1 Benzocyclobutene based polymer formulations and methods for processing such formulations in oxidative environments DOW GLOBAL TECHNOLOGIES LLC 2009-11-05 US disclosed